[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C19H22N4OS — CID 651028

IUPAC[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-14(2)23-16-7-4-3-6-15(16)20-19(23)22-11-9-21(10-12-22)18(24)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMHHTWKBDNUUNRL-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.64
Rot. Bonds3

About [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 651028) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID651028
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-14(2)23-16-7-4-3-6-15(16)20-19(23)22-11-9-21(10-12-22)18(24)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMHHTWKBDNUUNRL-UHFFFAOYSA-N
XLogP3.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 651028) is [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21.
What is the InChIKey of [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MHHTWKBDNUUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14(2)23-16-7-4-3-6-15(16)20-19(23)22-11-9-21(10-12-22)18(24)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 354.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-propan-2-ylbenzimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 651028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).